1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine

C243H402N30O6 — CID 160569952

IUPAC1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)O.CC(C)C1=CCCN(C)C1.CC(C)C1=CCCOC1.CC(C)C1=CCOCC1.CC(C)C1=COCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cncnc1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC1CC1.CCC
InChIInChI=1S/C13H16N2.C12H14N2.C10H16N2.C9H17N.11C8H11N.3C8H14O.4C7H12N2.C7H10N2.C7H12N2.2C7H10O.C4H10O.C4H8.C3H8.10C2H6/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-5-4-6-10(3)7-9;1-7(2)8-3-5-9-6-4-8;9*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;4*1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2,3)5;1-4-2-3-4;1-3-2;10*1-2/h3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5,8H,4,6-7H2,1-3H3;11*3-7H,1-2H3;3,7H,4-6H2,1-2H3;6-7H,3-5H2,1-2H3;4,7H,3,5-6H2,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;5H,1-3H3;4H,2-3H2,1H3;3H2,1-2H3;10*1-2H3
InChIKeyRAKMEPYWKPQMPH-UHFFFAOYSA-N
MW3840.09 g/mol
LogP68.94
Rot. Bonds31

About 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine

1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine (PubChem CID 160569952) has the molecular formula C243H402N30O6 and a molecular weight of 3840.09 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
PubChem CID160569952
Molecular FormulaC243H402N30O6
Molecular Weight3840.09 g/mol
Exact Mass3837.21
IUPAC Name1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)O.CC(C)C1=CCCN(C)C1.CC(C)C1=CCCOC1.CC(C)C1=CCOCC1.CC(C)C1=COCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cncnc1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC1CC1.CCC
InChIInChI=1S/C13H16N2.C12H14N2.C10H16N2.C9H17N.11C8H11N.3C8H14O.4C7H12N2.C7H10N2.C7H12N2.2C7H10O.C4H10O.C4H8.C3H8.10C2H6/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-5-4-6-10(3)7-9;1-7(2)8-3-5-9-6-4-8;9*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;4*1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2,3)5;1-4-2-3-4;1-3-2;10*1-2/h3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5,8H,4,6-7H2,1-3H3;11*3-7H,1-2H3;3,7H,4-6H2,1-2H3;6-7H,3-5H2,1-2H3;4,7H,3,5-6H2,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;5H,1-3H3;4H,2-3H2,1H3;3H2,1-2H3;10*1-2H3
InChIKeyRAKMEPYWKPQMPH-UHFFFAOYSA-N
XLogP68.94
TPSA387.57 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds31
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003840.09
LogP ≤ 568.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine (CID 160569952) is 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine.
What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)O.CC(C)C1=CCCN(C)C1.CC(C)C1=CCCOC1.CC(C)C1=CCOCC1.CC(C)C1=COCCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccn(C)n1.CC(C)c1ccncc1.CC(C)c1ccoc1.CC(C)c1cncnc1.CC(C)c1cnn(-c2ccccc2)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1.CC(C)c1cnn(CC2CC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC1CC1.CCC.
What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
The InChIKey is RAKMEPYWKPQMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H14N2.C10H16N2.C9H17N.11C8H11N.3C8H14O.4C7H12N2.C7H10N2.C7H12N2.2C7H10O.C4H10O.C4H8.C3H8.10C2H6/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-10(2)11-8-13-14(9-11)12-6-4-3-5-7-12;1-8(2)10-5-11-12(7-10)6-9-3-4-9;1-8(2)9-5-4-6-10(3)7-9;1-7(2)8-3-5-9-6-4-8;9*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;4*1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2,3)5;1-4-2-3-4;1-3-2;10*1-2/h3-8,10-11H,9H2,1-2H3;3-10H,1-2H3;5,7-9H,3-4,6H2,1-2H3;5,8H,4,6-7H2,1-3H3;11*3-7H,1-2H3;3,7H,4-6H2,1-2H3;6-7H,3-5H2,1-2H3;4,7H,3,5-6H2,1-2H3;4*4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;5H,1-3H3;4H,2-3H2,1H3;3H2,1-2H3;10*1-2H3.
What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine?
1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine has a molecular weight of 3840.09 g/mol, XLogP of 68.94, 31 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-propan-2-ylpyrazole;1-(cyclopropylmethyl)-4-propan-2-ylpyrazole;ethane;methylcyclopropane;2-methylpropan-2-ol;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-3-propan-2-ylpyrazole;tetrakis(1-methyl-4-propan-2-ylpyrazole);1-phenyl-4-propan-2-ylpyrazole;propane;4-propan-2-yl-3,6-dihydro-2H-pyran;5-propan-2-yl-3,4-dihydro-2H-pyran;5-propan-2-yl-3,6-dihydro-2H-pyran;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;nonakis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 160569952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).